1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole

C72H60N10O2 — CID 166007130

IUPAC1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
SMILESCc1cc2c(cc1C)N(c1cccc(Oc3cccc(N4CN(c5ccc(N6CN(c7cccc(Oc8cccc(N9CN(c%10ccncc%10)c%10cc(C)c(C)cc%109)c8)c7)c7ccccc76)cc5)c5ccccc54)c3)c1)CN2c1ccncc1
InChIInChI=1S/C72H60N10O2/c1-49-37-69-71(39-51(49)3)81(47-77(69)55-29-33-73-34-30-55)59-15-11-19-63(43-59)83-61-17-9-13-57(41-61)79-45-75(65-21-5-7-23-67(65)79)53-25-27-54(28-26-53)76-46-80(68-24-8-6-22-66(68)76)58-14-10-18-62(42-58)84-64-20-12-16-60(44-64)82-48-78(56-31-35-74-36-32-56)70-38-50(2)52(4)40-72(70)82/h5-44H,45-48H2,1-4H3
InChIKeyKXNNJSUXUZOPMN-UHFFFAOYSA-N
MW1097.34 g/mol
LogP18.28
Rot. Bonds12

About 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole

1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole (PubChem CID 166007130) has the molecular formula C72H60N10O2 and a molecular weight of 1097.34 g/mol. Its IUPAC name is 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole.

Molecular Properties

Compound Name1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
PubChem CID166007130
Molecular FormulaC72H60N10O2
Molecular Weight1097.34 g/mol
Exact Mass1096.49
IUPAC Name1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
SMILESCc1cc2c(cc1C)N(c1cccc(Oc3cccc(N4CN(c5ccc(N6CN(c7cccc(Oc8cccc(N9CN(c%10ccncc%10)c%10cc(C)c(C)cc%109)c8)c7)c7ccccc76)cc5)c5ccccc54)c3)c1)CN2c1ccncc1
InChIInChI=1S/C72H60N10O2/c1-49-37-69-71(39-51(49)3)81(47-77(69)55-29-33-73-34-30-55)59-15-11-19-63(43-59)83-61-17-9-13-57(41-61)79-45-75(65-21-5-7-23-67(65)79)53-25-27-54(28-26-53)76-46-80(68-24-8-6-22-66(68)76)58-14-10-18-62(42-58)84-64-20-12-16-60(44-64)82-48-78(56-31-35-74-36-32-56)70-38-50(2)52(4)40-72(70)82/h5-44H,45-48H2,1-4H3
InChIKeyKXNNJSUXUZOPMN-UHFFFAOYSA-N
XLogP18.28
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001097.34
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole with MolForge

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Related Compounds

1-pyridin-2-yl-3-[3-[3-[3-[4-[3-[3-[3-(3-pyridin-2-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-2H-benzimidazole
CID 166007124
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
1-[3-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenoxy]phenyl]-3,5,6-trimethyl-2H-benzimidazole
CID 169065894
3-methyl-1-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-furo[2,3-d]imidazole
CID 140730371
1-(3-tert-butylphenyl)-3-[3-tert-butyl-5-(3-pyridin-2-yloxyphenoxy)phenyl]-2H-benzimidazole
CID 155651329
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
1-phenyl-3-[3-(4-phenylphenyl)-5-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenoxy]phenyl]-2H-benzimidazole
CID 140825520
11-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-14-pyridin-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 170668607
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole?
The IUPAC name of 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole (CID 166007130) is 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole.
What is the SMILES notation for 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole?
The canonical SMILES for 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole is Cc1cc2c(cc1C)N(c1cccc(Oc3cccc(N4CN(c5ccc(N6CN(c7cccc(Oc8cccc(N9CN(c%10ccncc%10)c%10cc(C)c(C)cc%109)c8)c7)c7ccccc76)cc5)c5ccccc54)c3)c1)CN2c1ccncc1.
What is the InChIKey of 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole?
The InChIKey is KXNNJSUXUZOPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H60N10O2/c1-49-37-69-71(39-51(49)3)81(47-77(69)55-29-33-73-34-30-55)59-15-11-19-63(43-59)83-61-17-9-13-57(41-61)79-45-75(65-21-5-7-23-67(65)79)53-25-27-54(28-26-53)76-46-80(68-24-8-6-22-66(68)76)58-14-10-18-62(42-58)84-64-20-12-16-60(44-64)82-48-78(56-31-35-74-36-32-56)70-38-50(2)52(4)40-72(70)82/h5-44H,45-48H2,1-4H3.
What are the key properties of 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole?
1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole has a molecular weight of 1097.34 g/mol, XLogP of 18.28, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole is sourced from PubChem (CID 166007130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).